SCHEMBL2675464

SCHEMBL2675464

CC(CO)CNCc1c(C(=O)O)c2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
AGTR1 P30556 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PGR P06401 1/20 0.34
CYP1A2 P05177 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2676464 0.90 KDM4E (0.44) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2677004 0.84 MAPK1 (0.41) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2674924 0.84 MAPK1 (0.41) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2676360 0.84 MAPK1 (0.41) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2675896 0.83 MAPK1 (0.45) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2676762 0.82 MAPK1 (0.44) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2677820 0.80 MAPK1 (0.47) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2676253 0.80 MAPK1 (0.42) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2676286 0.80 MAPK1 (0.42) KDM4ENPSR1L3MBTL1MAPK1MAPT
SCHEMBL2676187 0.80 NPSR1 (0.39) KDM4ENPSR1L3MBTL1MAPK1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US claimed
EP-2150534-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2010-02-10 EP claimed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US claimed
WO-2008131779-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2008-11-06 WO claimed
US-8173639-B2 Isoquinolinone derivatives as NK3 antagonists H. LUNDBECK A/S (DK) 2012-05-08 US disclosed
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. LUNDBECK A/S (DK) 2009-06-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143402-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS KCNQ3, KCNK3, GRIK3 KDM4E 3176/4885NPSR1 182/4885L3MBTL1 4591/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.